4-(3,5-dichloroanilino)-2-(methylsulfanyl)-6-phenylpyrimidine-5-carbonitrile
Chemical Structure Depiction of
4-(3,5-dichloroanilino)-2-(methylsulfanyl)-6-phenylpyrimidine-5-carbonitrile
4-(3,5-dichloroanilino)-2-(methylsulfanyl)-6-phenylpyrimidine-5-carbonitrile
Compound characteristics
| Compound ID: | D490-0436 |
| Compound Name: | 4-(3,5-dichloroanilino)-2-(methylsulfanyl)-6-phenylpyrimidine-5-carbonitrile |
| Molecular Weight: | 387.29 |
| Molecular Formula: | C18 H12 Cl2 N4 S |
| Smiles: | CSc1nc(c2ccccc2)c(C#N)c(Nc2cc(cc(c2)[Cl])[Cl])n1 |
| Stereo: | ACHIRAL |
| logP: | 6.1584 |
| logD: | 6.1584 |
| logSw: | -6.3991 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.639 |
| InChI Key: | LGKARZVBMHXEIA-UHFFFAOYSA-N |